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Dimethyl[3.2]paracyclophane-5,8-dicarboxylate
SpectraBase Compound ID 8gG3UB2lLKu
InChI InChI=1S/C21H22O4/c1-24-20(22)18-13-17-11-10-15-8-6-14(7-9-15)4-3-5-16(18)12-19(17)21(23)25-2/h6-9,12-13H,3-5,10-11H2,1-2H3
InChIKey XAWIIMLFCMQVIE-UHFFFAOYSA-N
Mol Weight 338.4 g/mol
Molecular Formula C21H22O4
Exact Mass 338.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9X8zFTeRmrX
Name Dimethyl[3.2]paracyclophane-5,8-dicarboxylate
Alternate Name(s) Tricyclo[9.2.2.2*4,7*]heptadeca-1(14),4,6,11(15),12,16-hexaene-5,16-dicarboxylic acid dimethyl ester
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Formula C21H22O4
InChI InChI=1S/C21H22O4/c1-24-20(22)18-13-17-11-10-15-8-6-14(7-9-15)4-3-5-16(18)12-19(17)21(23)25-2/h6-9,12-13H,3-5,10-11H2,1-2H3
InChIKey XAWIIMLFCMQVIE-UHFFFAOYSA-N
Molecular Weight 338.403 g/mol
SMILES c1(c2cc(c(c1)CCCc1ccc(CC2)cc1)C(=O)OC)C(=O)OC
SPLASH splash10-00kr-0309000000-204c496faa58b602ceb4
Source of Spectrum U1-2009-235-40
Wiley ID 1710616